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BDBM330398 US9725436, Entry 17

SMILES: Clc1cc(Cn2ccnc2)cc(\C=C\c2ccc(cc2)N2CCN(CC2)C2=NCCO2)c1

InChI Key: InChIKey=JGJMPZRJULZCQL-OWOJBTEDSA-N

Data: 3 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 330398   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cytochrome P450-C17 (CYP17A1)


(Bos taurus (Bovine))
BDBM330398
PNG
(US9725436, Entry 17)
Show SMILES Clc1cc(Cn2ccnc2)cc(\C=C\c2ccc(cc2)N2CCN(CC2)C2=NCCO2)c1
Show InChI InChI=1S/C25H26ClN5O/c26-23-16-21(15-22(17-23)18-29-9-7-27-19-29)2-1-20-3-5-24(6-4-20)30-10-12-31(13-11-30)25-28-8-14-32-25/h1-7,9,15-17,19H,8,10-14,18H2/b2-1+
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 100n/an/an/an/an/an/a



CORTENDO AB (PUBL)

US Patent


Assay Description
Cyp17 assay protocol: AD293 cells that stably over-express recombinant CYP-17 were seeded in 96 well plates coated with poly D-lysine (15,000 cell pe...


US Patent US9725436 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450-C17 (CYP17A1)


(Bos taurus (Bovine))
BDBM330398
PNG
(US9725436, Entry 17)
Show SMILES Clc1cc(Cn2ccnc2)cc(\C=C\c2ccc(cc2)N2CCN(CC2)C2=NCCO2)c1
Show InChI InChI=1S/C25H26ClN5O/c26-23-16-21(15-22(17-23)18-29-9-7-27-19-29)2-1-20-3-5-24(6-4-20)30-10-12-31(13-11-30)25-28-8-14-32-25/h1-7,9,15-17,19H,8,10-14,18H2/b2-1+
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 3.50E+3n/an/an/an/an/an/a



CORTENDO AB (PUBL)

US Patent


Assay Description
Cyp21 assay protocol: AD293 cells that stably over-express recombinant CYP-21 were seeded in 96 well plates coated with poly D-lysine (10,000 cell pe...


US Patent US9725436 (2017)

More data for this
Ligand-Target Pair
Cytochrome P450 11A1 (CYP11A1)


(Bos taurus (Bovine))
BDBM330398
PNG
(US9725436, Entry 17)
Show SMILES Clc1cc(Cn2ccnc2)cc(\C=C\c2ccc(cc2)N2CCN(CC2)C2=NCCO2)c1
Show InChI InChI=1S/C25H26ClN5O/c26-23-16-21(15-22(17-23)18-29-9-7-27-19-29)2-1-20-3-5-24(6-4-20)30-10-12-31(13-11-30)25-28-8-14-32-25/h1-7,9,15-17,19H,8,10-14,18H2/b2-1+
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 130n/an/an/an/an/an/a



CORTENDO AB (PUBL)

US Patent


Assay Description
Cyp11 assay protocol: AD293 cells that stably over-express recombinant CYP-11 were seeded in 96 well plates coated with poly D-lysine (15,000 cell pe...


US Patent US9725436 (2017)

More data for this
Ligand-Target Pair